4-[3-[(6-azanylpyridin-2-yl)amino]-2-oxidanyl-propoxy]-2H-phthalazin-1-one

Systemtic Name: 4-[3-[(6-azanylpyridin-2-yl)amino]-2-oxidanyl-propoxy]-2H-phthalazin-1-one Openeye Name: 4-[3-[(6-amino-2-pyridyl)amino]-2-hydroxy-propoxy]-2H-phthalazin-1-one CAS Name: 4-[3-[(6-amino-2-pyridinyl)amino]-2-hydroxypropoxy]-2H-phthalazin-1-one IUPAC Name: 4-[3-[(6-aminopyridin-2-yl)amino]-2-hydroxypropoxy]-2H-phthalazin-1-one Traditional Name: 4-[3-[(6-amino-2-pyridyl)amino]-2-hydroxy-propoxy]-2H-phthalazin-1-one Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2OCC(CNC3=CC=CC(=N3)N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2OCC(CNC3=CC=CC(=N3)N)O

InChI

InChI=1S/C16H17N5O3/c17-13-6-3-7-14(19-13)18-8-10(22)9-24-16-12-5-2-1-4-11(12)15(23)20-21-16/h1-7,10,22H,8-9H2,(H,20,23)(H3,17,18,19)